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Compile Data Set for Download or QSAR

Found 365 hits with Last Name = 'sherk' and Initial = 'sr'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50070857
PNG
(CHEMBL50499 | Sodium; 6-fluoro-3-methyl-2-(4-pheny...)
Show SMILES Cc1c(nc2ccc(F)cc2c1C([O-])=O)-n1ccc2c(cccc12)-c1ccccc1
Show InChI InChI=1S/C25H17FN2O2/c1-15-23(25(29)30)20-14-17(26)10-11-21(20)27-24(15)28-13-12-19-18(8-5-9-22(19)28)16-6-3-2-4-7-16/h2-14H,1H3,(H,29,30)/p-1
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4.5n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Immunosuppressive effect in an isolated enzyme assay using partially purified Dihydroorotate dehydrogenase from human liver for inhibition of the for...


Bioorg Med Chem Lett 8: 1745-50 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89BJS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50069968
PNG
(CHEMBL104209 | Sodium; 9-fluoro-3-phenyl-5,6-dihyd...)
Show SMILES [O-]C(=O)c1c2CCc3cc(ccc3-c2nc2ccc(F)cc12)-c1ccccc1
Show InChI InChI=1S/C24H16FNO2/c25-17-8-11-21-20(13-17)22(24(27)28)19-10-7-16-12-15(14-4-2-1-3-5-14)6-9-18(16)23(19)26-21/h1-6,8-9,11-13H,7,10H2,(H,27,28)/p-1
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8.30n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)


Bioorg Med Chem Lett 8: 307-12 (1999)


BindingDB Entry DOI: 10.7270/Q21C1W19
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50069950
PNG
(CHEMBL321060 | Sodium; 9-fluoro-3-o-tolyl-5,6-dihy...)
Show SMILES Cc1ccccc1-c1ccc-2c(CCc3c-2nc2ccc(F)cc2c3C([O-])=O)c1
Show InChI InChI=1S/C25H18FNO2/c1-14-4-2-3-5-18(14)15-6-9-19-16(12-15)7-10-20-23(25(28)29)21-13-17(26)8-11-22(21)27-24(19)20/h2-6,8-9,11-13H,7,10H2,1H3,(H,28,29)/p-1
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10n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)


Bioorg Med Chem Lett 8: 307-12 (1999)


BindingDB Entry DOI: 10.7270/Q21C1W19
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50069959
PNG
(Brequinar sodium | CHEMBL300058 | Sodium; 6-fluoro...)
Show SMILES Cc1c(nc2ccc(F)cc2c1C([O-])=O)-c1ccc(cc1)-c1ccccc1F
Show InChI InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28)/p-1
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12n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Immunosuppressive effect in an isolated enzyme assay using partially purified Dihydroorotate dehydrogenase from human liver for inhibition of the for...


Bioorg Med Chem Lett 8: 1745-50 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89BJS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50069959
PNG
(Brequinar sodium | CHEMBL300058 | Sodium; 6-fluoro...)
Show SMILES Cc1c(nc2ccc(F)cc2c1C([O-])=O)-c1ccc(cc1)-c1ccccc1F
Show InChI InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28)/p-1
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12n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)


Bioorg Med Chem Lett 8: 307-12 (1999)


BindingDB Entry DOI: 10.7270/Q21C1W19
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50069939
PNG
(CHEMBL106467 | Sodium; 9-fluoro-3-p-tolyl-6H-thioc...)
Show SMILES Cc1ccc(cc1)-c1ccc-2c(SCc3c-2nc2ccc(F)cc2c3C([O-])=O)c1
Show InChI InChI=1S/C24H16FNO2S/c1-13-2-4-14(5-3-13)15-6-8-17-21(10-15)29-12-19-22(24(27)28)18-11-16(25)7-9-20(18)26-23(17)19/h2-11H,12H2,1H3,(H,27,28)/p-1
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13n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)


Bioorg Med Chem Lett 8: 307-12 (1999)


BindingDB Entry DOI: 10.7270/Q21C1W19
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50070838
PNG
(CHEMBL51082 | Sodium; 6-fluoro-3-methyl-2-(4-pheny...)
Show SMILES Cc1c(nc2ccc(F)cc2c1C([O-])=O)N1CCc2c1cccc2-c1ccccc1
Show InChI InChI=1S/C25H19FN2O2/c1-15-23(25(29)30)20-14-17(26)10-11-21(20)27-24(15)28-13-12-19-18(8-5-9-22(19)28)16-6-3-2-4-7-16/h2-11,14H,12-13H2,1H3,(H,29,30)/p-1
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15n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Immunosuppressive effect in an isolated enzyme assay using partially purified Dihydroorotate dehydrogenase from human liver for inhibition of the for...


Bioorg Med Chem Lett 8: 1745-50 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89BJS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50069951
PNG
(CHEMBL104302 | Sodium; 9-fluoro-3-phenyl-6H-thioch...)
Show SMILES [O-]C(=O)c1c2CSc3cc(ccc3-c2nc2ccc(F)cc12)-c1ccccc1
Show InChI InChI=1S/C23H14FNO2S/c24-15-7-9-19-17(11-15)21(23(26)27)18-12-28-20-10-14(13-4-2-1-3-5-13)6-8-16(20)22(18)25-19/h1-11H,12H2,(H,26,27)/p-1
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17n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)


Bioorg Med Chem Lett 8: 307-12 (1999)


BindingDB Entry DOI: 10.7270/Q21C1W19
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50069943
PNG
(CHEMBL106515 | Sodium; 9-fluoro-3-(2-methoxy-pheny...)
Show SMILES COc1ccccc1-c1ccc-2c(CCc3c-2nc2ccc(F)cc2c3C([O-])=O)c1
Show InChI InChI=1S/C25H18FNO3/c1-30-22-5-3-2-4-17(22)14-6-9-18-15(12-14)7-10-19-23(25(28)29)20-13-16(26)8-11-21(20)27-24(18)19/h2-6,8-9,11-13H,7,10H2,1H3,(H,28,29)/p-1
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20n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)


Bioorg Med Chem Lett 8: 307-12 (1999)


BindingDB Entry DOI: 10.7270/Q21C1W19
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50070832
PNG
(CHEMBL49129 | Sodium; 2-(biphenyl-3-yloxy)-6-fluor...)
Show SMILES Cc1c(Oc2cccc(c2)-c2ccccc2)nc2ccc(F)cc2c1C([O-])=O
Show InChI InChI=1S/C23H16FNO3/c1-14-21(23(26)27)19-13-17(24)10-11-20(19)25-22(14)28-18-9-5-8-16(12-18)15-6-3-2-4-7-15/h2-13H,1H3,(H,26,27)/p-1
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21n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Immunosuppressive effect in an isolated enzyme assay using partially purified Dihydroorotate dehydrogenase from human liver for inhibition of the for...


Bioorg Med Chem Lett 8: 1745-50 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89BJS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50070851
PNG
(CHEMBL48531 | Sodium; 6-fluoro-2-(6-methoxy-4-phen...)
Show SMILES COc1cc2N(CCc2c(c1)-c1ccccc1)c1nc2ccc(F)cc2c(C([O-])=O)c1C
Show InChI InChI=1S/C26H21FN2O3/c1-15-24(26(30)31)21-12-17(27)8-9-22(21)28-25(15)29-11-10-19-20(16-6-4-3-5-7-16)13-18(32-2)14-23(19)29/h3-9,12-14H,10-11H2,1-2H3,(H,30,31)/p-1
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22n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Immunosuppressive effect in an isolated enzyme assay using partially purified Dihydroorotate dehydrogenase from human liver for inhibition of the for...


Bioorg Med Chem Lett 8: 1745-50 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89BJS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50070844
PNG
(CHEMBL49089 | Sodium; 6-fluoro-3-methyl-2-[1-methy...)
Show SMILES Cc1c(nc2ccc(F)cc2c1C([O-])=O)-c1cn(C)c2c(cccc12)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H18F4N2O2/c1-14-23(26(34)35)20-12-17(28)9-10-22(20)32-24(14)21-13-33(2)25-18(7-4-8-19(21)25)15-5-3-6-16(11-15)27(29,30)31/h3-13H,1-2H3,(H,34,35)/p-1
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23n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Immunosuppressive effect in an isolated enzyme assay using partially purified Dihydroorotate dehydrogenase from human liver for inhibition of the for...


Bioorg Med Chem Lett 8: 1745-50 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89BJS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50070837
PNG
(CHEMBL49913 | Sodium; 6-fluoro-3-methyl-2-[4-(3-tr...)
Show SMILES Cc1c(nc2ccc(F)cc2c1C([O-])=O)N1CCc2c1cccc2-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C26H18F4N2O2/c1-14-23(25(33)34)20-13-17(27)8-9-21(20)31-24(14)32-11-10-19-18(6-3-7-22(19)32)15-4-2-5-16(12-15)26(28,29)30/h2-9,12-13H,10-11H2,1H3,(H,33,34)/p-1
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24n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Immunosuppressive effect in an isolated enzyme assay using partially purified Dihydroorotate dehydrogenase from human liver for inhibition of the for...


Bioorg Med Chem Lett 8: 1745-50 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89BJS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50070841
PNG
(CHEMBL49697 | Sodium; 6-fluoro-2-[4-(2-fluoro-phen...)
Show SMILES Cc1c(nc2ccc(F)cc2c1C([O-])=O)N1CCc2c1cccc2-c1ccccc1F
Show InChI InChI=1S/C25H18F2N2O2/c1-14-23(25(30)31)19-13-15(26)9-10-21(19)28-24(14)29-12-11-18-16(6-4-8-22(18)29)17-5-2-3-7-20(17)27/h2-10,13H,11-12H2,1H3,(H,30,31)/p-1
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24n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Immunosuppressive effect in an isolated enzyme assay using partially purified Dihydroorotate dehydrogenase from human liver for inhibition of the for...


Bioorg Med Chem Lett 8: 1745-50 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89BJS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50069958
PNG
(CHEMBL104146 | Sodium; 9-fluoro-3-o-tolyl-5H-6-thi...)
Show SMILES Cc1ccccc1-c1ccc-2c(CSc3c-2nc2ccc(F)cc2c3C([O-])=O)c1
Show InChI InChI=1S/C24H16FNO2S/c1-13-4-2-3-5-17(13)14-6-8-18-15(10-14)12-29-23-21(24(27)28)19-11-16(25)7-9-20(19)26-22(18)23/h2-11H,12H2,1H3,(H,27,28)/p-1
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25n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)


Bioorg Med Chem Lett 8: 307-12 (1999)


BindingDB Entry DOI: 10.7270/Q21C1W19
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50070846
PNG
(CHEMBL48244 | Sodium; 6-fluoro-3-methyl-2-(4-o-tol...)
Show SMILES Cc1ccccc1-c1cccc2N(CCc12)c1nc2ccc(F)cc2c(C([O-])=O)c1C
Show InChI InChI=1S/C26H21FN2O2/c1-15-6-3-4-7-18(15)19-8-5-9-23-20(19)12-13-29(23)25-16(2)24(26(30)31)21-14-17(27)10-11-22(21)28-25/h3-11,14H,12-13H2,1-2H3,(H,30,31)/p-1
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25n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Immunosuppressive effect in an isolated enzyme assay using partially purified Dihydroorotate dehydrogenase from human liver for inhibition of the for...


Bioorg Med Chem Lett 8: 1745-50 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89BJS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50069948
PNG
(CHEMBL107209 | Sodium; 9-fluoro-3-(3-methoxy-pheny...)
Show SMILES COc1cccc(c1)-c1ccc-2c(CCc3c-2nc2ccc(F)cc2c3C([O-])=O)c1
Show InChI InChI=1S/C25H18FNO3/c1-30-18-4-2-3-14(12-18)15-5-8-19-16(11-15)6-9-20-23(25(28)29)21-13-17(26)7-10-22(21)27-24(19)20/h2-5,7-8,10-13H,6,9H2,1H3,(H,28,29)/p-1
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25n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)


Bioorg Med Chem Lett 8: 307-12 (1999)


BindingDB Entry DOI: 10.7270/Q21C1W19
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50070839
PNG
(CHEMBL48928 | Sodium; 6-fluoro-3-methyl-2-(5-pheny...)
Show SMILES Cc1c(nc2ccc(F)cc2c1C([O-])=O)-c1cccc2c(cccc12)-c1ccccc1
Show InChI InChI=1S/C27H18FNO2/c1-16-25(27(30)31)23-15-18(28)13-14-24(23)29-26(16)22-12-6-10-20-19(9-5-11-21(20)22)17-7-3-2-4-8-17/h2-15H,1H3,(H,30,31)/p-1
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26n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Immunosuppressive effect in an isolated enzyme assay using partially purified Dihydroorotate dehydrogenase from human liver for inhibition of the for...


Bioorg Med Chem Lett 8: 1745-50 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89BJS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50069941
PNG
(CHEMBL321163 | Sodium; 9-fluoro-3-o-tolyl-6H-thioc...)
Show SMILES Cc1ccccc1-c1ccc-2c(SCc3c-2nc2ccc(F)cc2c3C([O-])=O)c1
Show InChI InChI=1S/C24H16FNO2S/c1-13-4-2-3-5-16(13)14-6-8-17-21(10-14)29-12-19-22(24(27)28)18-11-15(25)7-9-20(18)26-23(17)19/h2-11H,12H2,1H3,(H,27,28)/p-1
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27n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)


Bioorg Med Chem Lett 8: 307-12 (1999)


BindingDB Entry DOI: 10.7270/Q21C1W19
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50070833
PNG
(CHEMBL417722 | Sodium; 6-fluoro-3-methyl-2-(1-meth...)
Show SMILES Cc1c(nc2ccc(F)cc2c1C([O-])=O)-c1cn(C)c2c(cccc12)-c1ccccc1
Show InChI InChI=1S/C26H19FN2O2/c1-15-23(26(30)31)20-13-17(27)11-12-22(20)28-24(15)21-14-29(2)25-18(9-6-10-19(21)25)16-7-4-3-5-8-16/h3-14H,1-2H3,(H,30,31)/p-1
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27n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Immunosuppressive effect in an isolated enzyme assay using partially purified Dihydroorotate dehydrogenase from human liver for inhibition of the for...


Bioorg Med Chem Lett 8: 1745-50 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89BJS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50070856
PNG
(CHEMBL51243 | Sodium; 6-fluoro-2-(6-fluoro-4-pheny...)
Show SMILES Cc1c(nc2ccc(F)cc2c1C([O-])=O)N1CCc2c1cc(F)cc2-c1ccccc1
Show InChI InChI=1S/C25H18F2N2O2/c1-14-23(25(30)31)20-11-16(26)7-8-21(20)28-24(14)29-10-9-18-19(12-17(27)13-22(18)29)15-5-3-2-4-6-15/h2-8,11-13H,9-10H2,1H3,(H,30,31)/p-1
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30n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Immunosuppressive effect in an isolated enzyme assay using partially purified Dihydroorotate dehydrogenase from human liver for inhibition of the for...


Bioorg Med Chem Lett 8: 1745-50 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89BJS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50070848
PNG
(CHEMBL49214 | Sodium; 6-fluoro-2-[4-(2-methoxy-phe...)
Show SMILES COc1ccccc1-c1cccc2N(CCc12)c1nc2ccc(F)cc2c(C([O-])=O)c1C
Show InChI InChI=1S/C26H21FN2O3/c1-15-24(26(30)31)20-14-16(27)10-11-21(20)28-25(15)29-13-12-18-17(7-5-8-22(18)29)19-6-3-4-9-23(19)32-2/h3-11,14H,12-13H2,1-2H3,(H,30,31)/p-1
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30n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Immunosuppressive effect in an isolated enzyme assay using partially purified Dihydroorotate dehydrogenase from human liver for inhibition of the for...


Bioorg Med Chem Lett 8: 1745-50 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89BJS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50069971
PNG
(CHEMBL105175 | Sodium; 3-phenyl-9-trifluoromethyl-...)
Show SMILES [O-]C(=O)c1c2CCc3cc(ccc3-c2nc2ccc(cc12)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C25H16F3NO2/c26-25(27,28)17-8-11-21-20(13-17)22(24(30)31)19-10-7-16-12-15(14-4-2-1-3-5-14)6-9-18(16)23(19)29-21/h1-6,8-9,11-13H,7,10H2,(H,30,31)/p-1
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31n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)


Bioorg Med Chem Lett 8: 307-12 (1999)


BindingDB Entry DOI: 10.7270/Q21C1W19
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50070842
PNG
(CHEMBL297497 | Sodium; 6-fluoro-2-[7-(3-methoxy-ph...)
Show SMILES COc1cccc(c1)-c1cccc2c(cn(C)c12)-c1nc2ccc(F)cc2c(C([O-])=O)c1C
Show InChI InChI=1S/C27H21FN2O3/c1-15-24(27(31)32)21-13-17(28)10-11-23(21)29-25(15)22-14-30(2)26-19(8-5-9-20(22)26)16-6-4-7-18(12-16)33-3/h4-14H,1-3H3,(H,31,32)/p-1
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32n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Immunosuppressive effect in an isolated enzyme assay using partially purified Dihydroorotate dehydrogenase from human liver for inhibition of the for...


Bioorg Med Chem Lett 8: 1745-50 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89BJS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50070854
PNG
(CHEMBL50279 | Sodium; 6-fluoro-2-[4-(3-methoxy-phe...)
Show SMILES COc1cccc(c1)-c1cccc2N(CCc12)c1nc2ccc(F)cc2c(C([O-])=O)c1C
Show InChI InChI=1S/C26H21FN2O3/c1-15-24(26(30)31)21-14-17(27)9-10-22(21)28-25(15)29-12-11-20-19(7-4-8-23(20)29)16-5-3-6-18(13-16)32-2/h3-10,13-14H,11-12H2,1-2H3,(H,30,31)/p-1
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34n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Immunosuppressive effect in an isolated enzyme assay using partially purified Dihydroorotate dehydrogenase from human liver for inhibition of the for...


Bioorg Med Chem Lett 8: 1745-50 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89BJS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50069940
PNG
(CHEMBL320204 | Sodium; 9-fluoro-3-(2-fluoro-phenyl...)
Show SMILES [O-]C(=O)c1c2CCc3cc(ccc3-c2nc2ccc(F)cc12)-c1ccccc1F
Show InChI InChI=1S/C24H15F2NO2/c25-15-7-10-21-19(12-15)22(24(28)29)18-9-6-14-11-13(5-8-17(14)23(18)27-21)16-3-1-2-4-20(16)26/h1-5,7-8,10-12H,6,9H2,(H,28,29)/p-1
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34n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)


Bioorg Med Chem Lett 8: 307-12 (1999)


BindingDB Entry DOI: 10.7270/Q21C1W19
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50069960
PNG
(CHEMBL104136 | Sodium; 9-fluoro-3-m-tolyl-6H-thioc...)
Show SMILES Cc1cccc(c1)-c1ccc-2c(SCc3c-2nc2ccc(F)cc2c3C([O-])=O)c1
Show InChI InChI=1S/C24H16FNO2S/c1-13-3-2-4-14(9-13)15-5-7-17-21(10-15)29-12-19-22(24(27)28)18-11-16(25)6-8-20(18)26-23(17)19/h2-11H,12H2,1H3,(H,27,28)/p-1
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37n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)


Bioorg Med Chem Lett 8: 307-12 (1999)


BindingDB Entry DOI: 10.7270/Q21C1W19
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50070835
PNG
(CHEMBL49840 | Sodium; 6-fluoro-2-[7-(2-methoxy-phe...)
Show SMILES COc1ccccc1-c1cccc2c(cn(C)c12)-c1nc2ccc(F)cc2c(C([O-])=O)c1C
Show InChI InChI=1S/C27H21FN2O3/c1-15-24(27(31)32)20-13-16(28)11-12-22(20)29-25(15)21-14-30(2)26-18(8-6-9-19(21)26)17-7-4-5-10-23(17)33-3/h4-14H,1-3H3,(H,31,32)/p-1
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40n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Immunosuppressive effect in an isolated enzyme assay using partially purified Dihydroorotate dehydrogenase from human liver for inhibition of the for...


Bioorg Med Chem Lett 8: 1745-50 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89BJS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50069949
PNG
(CHEMBL322274 | Sodium; 9-fluoro-3-(2-trifluorometh...)
Show SMILES [O-]C(=O)c1c2CCc3cc(ccc3-c2nc2ccc(F)cc12)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C25H15F4NO2/c26-15-7-10-21-19(12-15)22(24(31)32)18-9-6-14-11-13(5-8-17(14)23(18)30-21)16-3-1-2-4-20(16)25(27,28)29/h1-5,7-8,10-12H,6,9H2,(H,31,32)/p-1
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40n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)


Bioorg Med Chem Lett 8: 307-12 (1999)


BindingDB Entry DOI: 10.7270/Q21C1W19
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50069944
PNG
(CHEMBL106865 | Sodium; 9-fluoro-3-p-tolyl-5,6-dihy...)
Show SMILES Cc1ccc(cc1)-c1ccc-2c(CCc3c-2nc2ccc(F)cc2c3C([O-])=O)c1
Show InChI InChI=1S/C25H18FNO2/c1-14-2-4-15(5-3-14)16-6-9-19-17(12-16)7-10-20-23(25(28)29)21-13-18(26)8-11-22(21)27-24(19)20/h2-6,8-9,11-13H,7,10H2,1H3,(H,28,29)/p-1
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40n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)


Bioorg Med Chem Lett 8: 307-12 (1999)


BindingDB Entry DOI: 10.7270/Q21C1W19
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50069966
PNG
(CHEMBL104824 | Sodium; 9-fluoro-3-(3-trifluorometh...)
Show SMILES [O-]C(=O)c1c2CCc3cc(ccc3-c2nc2ccc(F)cc12)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H15F4NO2/c26-17-6-9-21-20(12-17)22(24(31)32)19-8-5-15-10-14(4-7-18(15)23(19)30-21)13-2-1-3-16(11-13)25(27,28)29/h1-4,6-7,9-12H,5,8H2,(H,31,32)/p-1
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43n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)


Bioorg Med Chem Lett 8: 307-12 (1999)


BindingDB Entry DOI: 10.7270/Q21C1W19
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50069957
PNG
(CHEMBL107642 | Sodium; 9-fluoro-3-phenyl-6H-chrome...)
Show SMILES [O-]C(=O)c1c2COc3cc(ccc3-c2nc2ccc(F)cc12)-c1ccccc1
Show InChI InChI=1S/C23H14FNO3/c24-15-7-9-19-17(11-15)21(23(26)27)18-12-28-20-10-14(13-4-2-1-3-5-13)6-8-16(20)22(18)25-19/h1-11H,12H2,(H,26,27)/p-1
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48n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)


Bioorg Med Chem Lett 8: 307-12 (1999)


BindingDB Entry DOI: 10.7270/Q21C1W19
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50069970
PNG
(CHEMBL107224 | Sodium; 9-fluoro-3-thiophen-3-yl-5,...)
Show SMILES [O-]C(=O)c1c2CCc3cc(ccc3-c2nc2ccc(F)cc12)-c1ccsc1
Show InChI InChI=1S/C22H14FNO2S/c23-15-3-6-19-18(10-15)20(22(25)26)17-5-2-13-9-12(14-7-8-27-11-14)1-4-16(13)21(17)24-19/h1,3-4,6-11H,2,5H2,(H,25,26)/p-1
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52n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)


Bioorg Med Chem Lett 8: 307-12 (1999)


BindingDB Entry DOI: 10.7270/Q21C1W19
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50069947
PNG
(CHEMBL441276 | Sodium; 9-fluoro-3-(4-methoxy-pheny...)
Show SMILES COc1ccc(cc1)-c1ccc-2c(CCc3c-2nc2ccc(F)cc2c3C([O-])=O)c1
Show InChI InChI=1S/C25H18FNO3/c1-30-18-7-2-14(3-8-18)15-4-9-19-16(12-15)5-10-20-23(25(28)29)21-13-17(26)6-11-22(21)27-24(19)20/h2-4,6-9,11-13H,5,10H2,1H3,(H,28,29)/p-1
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55n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)


Bioorg Med Chem Lett 8: 307-12 (1999)


BindingDB Entry DOI: 10.7270/Q21C1W19
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50069961
PNG
(CHEMBL104766 | Sodium; 9-fluoro-3-m-tolyl-5,6-dihy...)
Show SMILES Cc1cccc(c1)-c1ccc-2c(CCc3c-2nc2ccc(F)cc2c3C([O-])=O)c1
Show InChI InChI=1S/C25H18FNO2/c1-14-3-2-4-15(11-14)16-5-8-19-17(12-16)6-9-20-23(25(28)29)21-13-18(26)7-10-22(21)27-24(19)20/h2-5,7-8,10-13H,6,9H2,1H3,(H,28,29)/p-1
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59n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)


Bioorg Med Chem Lett 8: 307-12 (1999)


BindingDB Entry DOI: 10.7270/Q21C1W19
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50070855
PNG
(CHEMBL49331 | Sodium; 6-fluoro-3-methyl-2-(4-pheny...)
Show SMILES Cc1c(nc2ccc(F)cc2c1C([O-])=O)-n1cnc2c(cccc12)-c1ccccc1
Show InChI InChI=1S/C24H16FN3O2/c1-14-21(24(29)30)18-12-16(25)10-11-19(18)27-23(14)28-13-26-22-17(8-5-9-20(22)28)15-6-3-2-4-7-15/h2-13H,1H3,(H,29,30)/p-1
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71n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Immunosuppressive effect in an isolated enzyme assay using partially purified Dihydroorotate dehydrogenase from human liver for inhibition of the for...


Bioorg Med Chem Lett 8: 1745-50 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89BJS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50069973
PNG
(CHEMBL104167 | Sodium; 9-fluoro-3-m-tolyl-5,6-dihy...)
Show SMILES Cc1cccc(c1)-c1ccc-2c(CCc3c-2nc2ccc(F)cc2c3C([O-])=O)n1
Show InChI InChI=1S/C24H17FN2O2/c1-13-3-2-4-14(11-13)19-9-6-16-20(26-19)10-7-17-22(24(28)29)18-12-15(25)5-8-21(18)27-23(16)17/h2-6,8-9,11-12H,7,10H2,1H3,(H,28,29)/p-1
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81n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)


Bioorg Med Chem Lett 8: 307-12 (1999)


BindingDB Entry DOI: 10.7270/Q21C1W19
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50070836
PNG
(CHEMBL50441 | Sodium; 2-(biphenyl-3-ylamino)-6-flu...)
Show SMILES Cc1c(Nc2cccc(c2)-c2ccccc2)nc2ccc(F)cc2c1C([O-])=O
Show InChI InChI=1S/C23H17FN2O2/c1-14-21(23(27)28)19-13-17(24)10-11-20(19)26-22(14)25-18-9-5-8-16(12-18)15-6-3-2-4-7-15/h2-13H,1H3,(H,25,26)(H,27,28)/p-1
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83n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Immunosuppressive effect in an isolated enzyme assay using partially purified Dihydroorotate dehydrogenase from human liver for inhibition of the for...


Bioorg Med Chem Lett 8: 1745-50 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89BJS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50070840
PNG
(CHEMBL50494 | Sodium; 6-fluoro-3-methyl-2-(7-pheny...)
Show SMILES Cc1c(nc2ccc(F)cc2c1C([O-])=O)-c1c[nH]c2c(cccc12)-c1ccccc1
Show InChI InChI=1S/C25H17FN2O2/c1-14-22(25(29)30)19-12-16(26)10-11-21(19)28-23(14)20-13-27-24-17(8-5-9-18(20)24)15-6-3-2-4-7-15/h2-13,27H,1H3,(H,29,30)/p-1
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>130n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Immunosuppressive effect in an isolated enzyme assay using partially purified Dihydroorotate dehydrogenase from human liver for inhibition of the for...


Bioorg Med Chem Lett 8: 1745-50 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89BJS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50069946
PNG
(CHEMBL108213 | Sodium; 9-fluoro-3-m-tolyl-5H-6-thi...)
Show SMILES Cc1cccc(c1)-c1ccc-2c(CSc3c-2nc2ccc(F)cc2c3C([O-])=O)c1
Show InChI InChI=1S/C24H16FNO2S/c1-13-3-2-4-14(9-13)15-5-7-18-16(10-15)12-29-23-21(24(27)28)19-11-17(25)6-8-20(19)26-22(18)23/h2-11H,12H2,1H3,(H,27,28)/p-1
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135n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)


Bioorg Med Chem Lett 8: 307-12 (1999)


BindingDB Entry DOI: 10.7270/Q21C1W19
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50069952
PNG
(CHEMBL108327 | Sodium; 9-fluoro-5,5-dioxo-3-phenyl...)
Show SMILES [O-]C(=O)c1c2CS(=O)(=O)c3cc(ccc3-c2nc2ccc(F)cc12)-c1ccccc1
Show InChI InChI=1S/C23H14FNO4S/c24-15-7-9-19-17(11-15)21(23(26)27)18-12-30(28,29)20-10-14(13-4-2-1-3-5-13)6-8-16(20)22(18)25-19/h1-11H,12H2,(H,26,27)/p-1
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139n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)


Bioorg Med Chem Lett 8: 307-12 (1999)


BindingDB Entry DOI: 10.7270/Q21C1W19
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50069945
PNG
(CHEMBL106529 | Sodium; 9-fluoro-3-(3-methoxy-pheny...)
Show SMILES COc1cccc(c1)-c1ccc-2c(CCc3c-2nc2ccc(F)cc2c3C([O-])=O)n1
Show InChI InChI=1S/C24H17FN2O3/c1-30-15-4-2-3-13(11-15)19-9-6-16-20(26-19)10-7-17-22(24(28)29)18-12-14(25)5-8-21(18)27-23(16)17/h2-6,8-9,11-12H,7,10H2,1H3,(H,28,29)/p-1
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160n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)


Bioorg Med Chem Lett 8: 307-12 (1999)


BindingDB Entry DOI: 10.7270/Q21C1W19
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50069972
PNG
(CHEMBL320245 | Sodium; 9-fluoro-3-phenyl-5H-6-thia...)
Show SMILES [O-]C(=O)c1c2SCc3cc(ccc3-c2nc2ccc(F)cc12)-c1ccccc1
Show InChI InChI=1S/C23H14FNO2S/c24-16-7-9-19-18(11-16)20(23(26)27)22-21(25-19)17-8-6-14(10-15(17)12-28-22)13-4-2-1-3-5-13/h1-11H,12H2,(H,26,27)/p-1
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170n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)


Bioorg Med Chem Lett 8: 307-12 (1999)


BindingDB Entry DOI: 10.7270/Q21C1W19
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50069942
PNG
(CHEMBL107417 | Sodium; 9-fluoro-3-thiazol-2-yl-5,6...)
Show SMILES [O-]C(=O)c1c2CCc3cc(ccc3-c2nc2ccc(F)cc12)-c1nccs1
Show InChI InChI=1S/C21H13FN2O2S/c22-13-3-6-17-16(10-13)18(21(25)26)15-5-1-11-9-12(20-23-7-8-27-20)2-4-14(11)19(15)24-17/h2-4,6-10H,1,5H2,(H,25,26)/p-1
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>180n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)


Bioorg Med Chem Lett 8: 307-12 (1999)


BindingDB Entry DOI: 10.7270/Q21C1W19
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50069962
PNG
(CHEMBL322855 | Sodium; 8-fluoro-2-phenyl-4,5-dihyd...)
Show SMILES [O-]C(=O)c1c2CCc3cc(sc3-c2nc2ccc(F)cc12)-c1ccccc1
Show InChI InChI=1S/C22H14FNO2S/c23-14-7-9-17-16(11-14)19(22(25)26)15-8-6-13-10-18(12-4-2-1-3-5-12)27-21(13)20(15)24-17/h1-5,7,9-11H,6,8H2,(H,25,26)/p-1
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>182n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)


Bioorg Med Chem Lett 8: 307-12 (1999)


BindingDB Entry DOI: 10.7270/Q21C1W19
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50069963
PNG
(CHEMBL326692 | Sodium; 9-fluoro-3-furan-3-yl-5,6-d...)
Show SMILES [O-]C(=O)c1c2CCc3cc(ccc3-c2nc2ccc(F)cc12)-c1ccoc1
Show InChI InChI=1S/C22H14FNO3/c23-15-3-6-19-18(10-15)20(22(25)26)17-5-2-13-9-12(14-7-8-27-11-14)1-4-16(13)21(17)24-19/h1,3-4,6-11H,2,5H2,(H,25,26)/p-1
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190n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)


Bioorg Med Chem Lett 8: 307-12 (1999)


BindingDB Entry DOI: 10.7270/Q21C1W19
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50070843
PNG
(CHEMBL45691 | Sodium; 2-(biphenyl-4-ylmethoxy)-6-f...)
Show SMILES Cc1c(OCc2ccc(cc2)-c2ccccc2)nc2ccc(F)cc2c1C([O-])=O
Show InChI InChI=1S/C24H18FNO3/c1-15-22(24(27)28)20-13-19(25)11-12-21(20)26-23(15)29-14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-13H,14H2,1H3,(H,27,28)/p-1
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>200n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Immunosuppressive effect in an isolated enzyme assay using partially purified Dihydroorotate dehydrogenase from human liver for inhibition of the for...


Bioorg Med Chem Lett 8: 1745-50 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89BJS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50070834
PNG
(CHEMBL49328 | Sodium; 6-fluoro-3-methyl-2-phenylam...)
Show SMILES Cc1c(Nc2ccccc2)nc2ccc(F)cc2c1C([O-])=O
Show InChI InChI=1S/C17H13FN2O2/c1-10-15(17(21)22)13-9-11(18)7-8-14(13)20-16(10)19-12-5-3-2-4-6-12/h2-9H,1H3,(H,19,20)(H,21,22)/p-1
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>200n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Immunosuppressive effect in an isolated enzyme assay using partially purified Dihydroorotate dehydrogenase from human liver for inhibition of the for...


Bioorg Med Chem Lett 8: 1745-50 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89BJS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50069969
PNG
(CHEMBL318798 | Sodium; 9-fluoro-3-phenyl-5H-6-oxa-...)
Show SMILES [O-]C(=O)c1c2OCc3cc(ccc3-c2nc2ccc(F)cc12)-c1ccccc1
Show InChI InChI=1S/C23H14FNO3/c24-16-7-9-19-18(11-16)20(23(26)27)22-21(25-19)17-8-6-14(10-15(17)12-28-22)13-4-2-1-3-5-13/h1-11H,12H2,(H,26,27)/p-1
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>204n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)


Bioorg Med Chem Lett 8: 307-12 (1999)


BindingDB Entry DOI: 10.7270/Q21C1W19
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50069964
PNG
(CHEMBL324668 | Sodium; 9-fluoro-5-oxo-3-phenyl-5,6...)
Show SMILES [O-]C(=O)c1c2CS(=O)c3cc(ccc3-c2nc2ccc(F)cc12)-c1ccccc1
Show InChI InChI=1S/C23H14FNO3S/c24-15-7-9-19-17(11-15)21(23(26)27)18-12-29(28)20-10-14(13-4-2-1-3-5-13)6-8-16(20)22(18)25-19/h1-11H,12H2,(H,26,27)/p-1
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206n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)


Bioorg Med Chem Lett 8: 307-12 (1999)


BindingDB Entry DOI: 10.7270/Q21C1W19
More data for this
Ligand-Target Pair
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